#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji h THR 2 N 0.00 1.34 -1.77 0.00 2.02 -2.00 -3.49 112.91 109.00 1nji h THR 2 Ca 0.00 -2.61 0.01 0.00 0.77 0.00 0.00 66.41 64.57 1nji h THR 2 Cb 0.00 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1nji h THR 2 CO 0.00 0.78 0.03 0.61 0.37 0.00 0.00 175.52 177.32 1nji n GLY 3 N 1.40 1.47 0.22 2.16 0.00 -1.26 -5.00 105.19 104.18 1nji n GLY 3 Ca -0.12 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 44.98 1nji n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nji h PRO 4 N 0.00 0.01 0.00 1.61 0.11 -2.08 -2.60 132.00 129.06 1nji h PRO 4 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1nji h PRO 4 Cb 0.08 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1nji h PRO 4 CO 0.02 0.22 -0.39 -0.09 -0.21 0.00 0.00 178.00 177.55 1nji h ARG 5 N 0.01 0.00 -6.83 1.05 2.43 -2.02 -3.47 114.38 105.55 1nji h ARG 5 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1nji h ARG 5 Cb 0.36 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.04 1nji h ARG 5 CO 0.03 0.00 0.43 0.98 -1.51 0.00 0.00 179.97 179.89 1nji n TYR 6 N -2.46 1.90 -3.87 2.20 9.36 -0.98 -4.98 117.16 118.32 1nji n TYR 6 Ca 0.03 0.49 -0.36 0.00 3.32 0.00 0.00 57.90 61.39 1nji n TYR 6 Cb 0.48 -2.33 -0.13 0.00 -0.63 0.00 0.00 39.34 36.72 1nji n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1nji s LYS 7 N -2.33 2.65 -0.22 2.98 2.47 -1.26 -4.78 119.74 119.25 1nji s LYS 7 Ca 0.64 -1.13 -0.16 0.00 -1.56 0.00 0.00 55.97 53.77 1nji s LYS 7 Cb -0.49 -3.22 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1nji s LYS 7 CO 0.56 -0.56 0.39 0.08 0.16 0.00 0.00 175.35 175.98 1nji s VAL 8 N 1.33 5.20 1.02 4.02 1.01 -1.26 -5.00 120.40 126.72 1nji s VAL 8 Ca -0.02 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 1nji s VAL 8 Cb -0.19 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.59 1nji s VAL 8 CO -0.01 0.23 0.57 -2.65 0.00 0.00 0.00 175.10 173.25 1nji n PRO 9 N 4.64 -0.96 -2.08 2.72 -0.02 -1.26 -4.92 135.00 133.12 1nji n PRO 9 Ca -0.08 -0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 60.77 1nji n PRO 9 Cb 0.51 -1.98 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1nji n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1nji s MET 10 N -3.93 3.80 0.21 -0.52 -1.94 -1.26 -4.74 119.30 110.93 1nji s MET 10 Ca 0.61 2.05 -0.17 0.00 -1.71 0.00 0.00 55.69 56.47 1nji s MET 10 Cb -0.20 -2.59 0.21 0.00 2.01 0.00 0.00 34.83 34.26 1nji s MET 10 CO 0.65 -0.60 1.59 -0.09 -0.01 0.00 0.00 175.02 176.56 1nji h ARG 11 N 2.34 -0.08 0.00 2.03 2.43 -2.00 0.70 114.38 119.81 1nji h ARG 11 Ca -0.50 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1nji h ARG 11 Cb 1.25 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1nji h ARG 11 CO 0.61 -0.05 0.00 0.54 -1.51 0.00 0.00 179.97 179.56 1nji n ARG 12 N -5.47 0.18 -0.05 0.20 1.74 -1.26 -1.23 116.66 110.78 1nji n ARG 12 Ca 0.07 0.16 -0.16 0.00 -0.77 0.00 0.00 57.85 57.15 1nji n ARG 12 Cb 0.37 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.18 1nji n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1nji n ARG 13 N -1.23 0.70 0.20 5.56 3.00 0.23 -1.75 116.66 123.36 1nji n ARG 13 Ca 0.05 0.21 -0.15 0.00 -0.00 0.00 0.00 57.85 57.96 1nji n ARG 13 Cb 0.07 -1.66 -0.08 0.00 0.00 0.00 0.00 32.46 30.79 1nji n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nji h ARG 14 N 0.03 -0.42 0.00 -0.14 3.08 -0.07 -0.30 114.38 116.55 1nji h ARG 14 Ca -0.45 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1nji h ARG 14 Cb 2.03 0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.18 1nji h ARG 14 CO 0.04 -0.25 0.00 0.39 -1.07 0.00 0.00 179.97 179.08 1nji n GLU 15 N -5.26 0.08 -3.85 0.04 1.02 -0.37 -4.81 120.64 107.50 1nji n GLU 15 Ca -0.10 0.12 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 1nji n GLU 15 Cb 0.21 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1nji n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nji n ALA 16 N -1.14 -1.75 -0.02 0.62 0.00 -0.12 -4.87 120.51 113.22 1nji n ALA 16 Ca 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1nji n ALA 16 Cb 0.02 -2.70 -0.02 0.00 0.00 0.00 0.00 19.45 16.75 1nji n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nji n ARG 17 N -4.43 1.18 -4.66 0.00 1.74 -0.86 -5.03 116.66 104.61 1nji n ARG 17 Ca -0.18 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.59 1nji n ARG 17 Cb 0.62 -1.09 -0.14 0.00 -1.02 0.00 0.00 32.46 30.83 1nji n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1nji s THR 18 N -2.09 3.05 -0.59 0.55 2.01 -0.72 -4.69 115.64 113.16 1nji s THR 18 Ca -0.05 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 1nji s THR 18 Cb 0.01 -2.29 0.11 0.00 0.01 0.00 0.00 72.50 70.34 1nji s THR 18 CO 0.12 0.51 0.69 -0.62 -0.69 0.00 0.00 174.62 174.64 1nji s ASP 19 N 0.51 6.18 0.52 3.53 -1.08 -1.26 -4.56 116.67 120.52 1nji s ASP 19 Ca -0.09 -1.46 0.29 0.00 -0.52 0.00 0.00 52.55 50.78 1nji s ASP 19 Cb -0.16 -2.30 1.41 0.00 -1.46 0.00 0.00 42.92 40.41 1nji s ASP 19 CO 0.04 -1.10 2.03 1.88 0.52 0.00 0.00 175.17 178.54 1nji h TYR 20 N 9.17 0.00 -0.04 -5.34 -1.99 -1.97 0.33 116.97 117.13 1nji h TYR 20 Ca -0.30 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.24 1nji h TYR 20 Cb 1.09 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.83 1nji h TYR 20 CO 0.83 0.11 -0.75 0.45 -0.00 0.00 0.00 178.16 178.80 1nji h HIS 21 N 0.00 0.83 -0.30 4.88 3.86 -2.01 -2.68 115.15 119.73 1nji h HIS 21 Ca -0.00 -0.42 -0.13 0.00 -1.16 0.00 0.00 60.37 58.66 1nji h HIS 21 Cb 0.43 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1nji h HIS 21 CO 0.00 1.24 -0.33 0.37 0.86 0.00 0.00 177.93 180.07 1nji h GLN 22 N 0.18 0.66 -0.55 2.45 4.15 -1.92 -3.03 115.11 117.04 1nji h GLN 22 Ca -0.08 -0.31 0.07 0.00 0.77 0.00 0.00 58.65 59.10 1nji h GLN 22 Cb 1.42 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 29.04 1nji h GLN 22 CO 0.15 0.90 0.23 -0.09 -1.93 0.00 0.00 178.83 178.09 1nji h ARG 23 N 0.56 0.41 -0.54 1.69 2.43 -0.88 0.11 114.38 118.16 1nji h ARG 23 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1nji h ARG 23 Cb 0.84 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1nji h ARG 23 CO 0.07 0.27 0.28 1.25 -1.51 0.00 0.00 179.97 180.34 1nji h LEU 24 N 0.43 0.69 -1.26 3.80 5.85 -1.39 0.89 115.31 124.32 1nji h LEU 24 Ca 0.27 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1nji h LEU 24 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1nji h LEU 24 CO -0.25 0.60 0.08 0.03 -0.34 0.00 0.00 178.44 178.57 1nji h ARG 25 N 0.73 0.59 0.22 1.25 3.08 -1.30 -2.38 114.38 116.57 1nji h ARG 25 Ca 0.19 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1nji h ARG 25 Cb 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1nji h ARG 25 CO -0.03 0.55 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.25 1nji h LEU 26 N 0.58 -0.25 -1.54 3.04 4.07 -0.10 -2.99 115.31 118.12 1nji h LEU 26 Ca 0.13 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1nji h LEU 26 Cb 0.24 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1nji h LEU 26 CO -0.00 0.12 0.05 -0.07 -1.08 0.00 0.00 178.44 177.46 1nji h LEU 27 N -0.64 0.00 -0.76 1.67 3.38 -0.56 -2.79 115.31 115.61 1nji h LEU 27 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nji h LEU 27 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1nji h LEU 27 CO 0.05 0.00 0.48 0.11 0.09 0.00 0.00 178.44 179.17 1nji h LYS 28 N 0.00 0.92 -0.82 1.13 1.79 -1.28 -2.16 116.57 116.16 1nji h LYS 28 Ca 0.00 -0.06 0.21 0.00 -2.18 0.00 0.00 60.65 58.63 1nji h LYS 28 Cb 0.10 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.50 1nji h LYS 28 CO 0.00 0.61 0.57 0.66 -1.08 0.00 0.00 179.45 180.21 1nji h SER 29 N 0.95 0.17 0.00 0.86 4.64 -1.67 -3.44 113.55 115.06 1nji h SER 29 Ca 0.30 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1nji h SER 29 Cb -0.01 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1nji h SER 29 CO -0.10 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1nji n GLY 30 N -1.62 0.84 3.97 -0.77 0.00 -0.81 -5.01 105.19 101.79 1nji n GLY 30 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1nji n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nji s LYS 31 N -0.02 3.30 0.58 1.61 1.02 -1.26 -5.08 119.74 119.88 1nji s LYS 31 Ca 0.00 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 1nji s LYS 31 Cb 0.00 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1nji s LYS 31 CO 0.00 0.21 1.16 -2.14 -0.92 0.00 0.00 175.35 173.66 1nji s PRO 32 N -4.13 3.12 0.02 -1.68 0.02 -1.25 -4.74 135.00 126.36 1nji s PRO 32 Ca 0.40 1.67 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 1nji s PRO 32 Cb -0.09 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 1nji s PRO 32 CO 0.31 -1.05 0.34 1.03 -0.33 0.00 0.00 177.00 177.30 1nji s ARG 33 N -3.40 3.71 -0.73 5.54 0.52 0.61 -0.97 118.95 124.23 1nji s ARG 33 Ca 0.74 0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.95 1nji s ARG 33 Cb -0.26 -3.09 0.19 0.00 0.52 0.00 0.00 34.95 32.31 1nji s ARG 33 CO 0.31 0.64 0.65 -1.17 0.02 0.00 0.00 175.30 175.74 1nji s LEU 34 N -1.60 6.34 -0.38 2.53 2.96 0.12 -0.49 118.68 128.16 1nji s LEU 34 Ca 0.28 -2.55 -0.29 0.00 -0.22 0.00 0.00 54.13 51.34 1nji s LEU 34 Cb -0.14 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.42 1nji s LEU 34 CO 0.15 -0.58 1.39 -0.69 -1.32 0.00 0.00 176.35 175.30 1nji s VAL 35 N 0.39 3.96 -0.35 1.68 1.01 0.17 -1.54 120.40 125.71 1nji s VAL 35 Ca 0.15 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 1nji s VAL 35 Cb -0.16 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1nji s VAL 35 CO -0.06 -0.67 0.20 0.00 0.00 0.00 0.00 175.10 174.57 1nji s ALA 36 N 5.15 3.31 0.14 5.51 0.00 -0.47 -1.62 121.76 133.78 1nji s ALA 36 Ca 0.60 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1nji s ALA 36 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1nji s ALA 36 CO 0.30 -1.20 -0.16 1.03 0.00 0.00 0.00 175.76 175.73 1nji s ARG 37 N 1.60 1.15 0.23 0.00 1.81 -0.55 -4.54 118.95 118.65 1nji s ARG 37 Ca 0.03 -1.33 0.06 0.00 -1.72 0.00 0.00 55.73 52.77 1nji s ARG 37 Cb -0.18 -1.12 -0.05 0.00 -0.45 0.00 0.00 34.95 33.14 1nji s ARG 37 CO 0.07 0.22 -0.07 0.15 -0.68 0.00 0.00 175.30 174.99 1nji s LYS 38 N -2.75 1.38 0.18 3.54 1.02 -1.26 -0.72 119.74 121.13 1nji s LYS 38 Ca 0.13 -1.67 -0.01 0.00 0.02 0.00 0.00 55.97 54.44 1nji s LYS 38 Cb -0.05 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 1nji s LYS 38 CO 0.05 0.04 0.10 0.45 -0.92 0.00 0.00 175.35 175.07 1nji s SER 39 N -3.34 0.31 0.35 2.83 0.15 0.14 -4.94 113.70 109.20 1nji s SER 39 Ca 0.26 -1.32 0.02 0.00 0.70 0.00 0.00 55.95 55.62 1nji s SER 39 Cb 0.03 0.33 0.63 0.00 -1.71 0.00 0.00 66.02 65.30 1nji s SER 39 CO 0.08 -0.78 1.99 0.78 1.20 0.00 0.00 173.24 176.51 1nji h ASN 40 N 2.70 0.75 0.00 5.45 2.35 -2.00 -3.24 115.58 121.58 1nji h ASN 40 Ca -0.36 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.25 1nji h ASN 40 Cb 1.23 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1nji h ASN 40 CO 0.56 0.53 -1.84 0.29 -1.65 0.00 0.00 177.43 175.32 1nji n LYS 41 N -4.44 1.06 -4.54 0.81 5.02 -1.26 -4.74 118.16 110.06 1nji n LYS 41 Ca 0.08 -0.08 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1nji n LYS 41 Cb 0.08 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 1nji n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1nji s HIS 42 N -2.71 1.91 -0.05 2.13 3.76 -1.22 -2.18 115.29 116.93 1nji s HIS 42 Ca -0.06 -1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 53.76 1nji s HIS 42 Cb 0.07 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.47 1nji s HIS 42 CO 0.61 -0.05 0.03 0.08 -0.85 0.00 0.00 174.74 174.55 1nji s VAL 43 N -3.16 0.12 0.09 -0.90 1.01 -1.25 0.26 120.40 116.56 1nji s VAL 43 Ca 0.26 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.54 1nji s VAL 43 Cb 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1nji s VAL 43 CO 0.13 0.19 -0.05 -0.60 0.00 0.00 0.00 175.10 174.78 1nji s ARG 44 N 1.76 2.38 -0.09 2.72 3.52 0.11 -1.09 118.95 128.25 1nji s ARG 44 Ca 0.00 -0.91 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 1nji s ARG 44 Cb -0.13 -2.44 0.05 0.00 -1.56 0.00 0.00 34.95 30.87 1nji s ARG 44 CO -0.03 0.53 0.18 0.00 -0.81 0.00 0.00 175.30 175.17 1nji s ALA 45 N -1.25 -0.25 0.09 6.12 0.00 -0.34 -1.48 121.76 124.65 1nji s ALA 45 Ca 0.23 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.91 1nji s ALA 45 Cb -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1nji s ALA 45 CO 0.16 -0.54 -0.18 -0.65 0.00 0.00 0.00 175.76 174.54 1nji s GLN 46 N 2.22 1.00 -0.40 0.00 -0.21 -0.64 -0.62 119.66 121.02 1nji s GLN 46 Ca 0.02 -1.08 -0.06 0.00 0.02 0.00 0.00 55.36 54.25 1nji s GLN 46 Cb -0.12 -1.14 0.08 0.00 1.00 0.00 0.00 33.01 32.83 1nji s GLN 46 CO -0.06 0.26 0.20 -0.51 -2.12 0.00 0.00 175.29 173.06 1nji s LEU 47 N -1.87 4.98 -0.04 2.90 1.43 0.69 0.42 118.68 127.19 1nji s LEU 47 Ca 0.03 -1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 51.49 1nji s LEU 47 Cb -0.10 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1nji s LEU 47 CO 0.03 -0.49 0.06 -0.69 0.23 0.00 0.00 176.35 175.49 1nji s VAL 48 N 1.31 4.68 0.35 -1.59 1.01 0.35 -1.13 120.40 125.38 1nji s VAL 48 Ca 0.03 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.82 1nji s VAL 48 Cb -0.22 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1nji s VAL 48 CO -0.00 0.47 -0.03 0.28 0.00 0.00 0.00 175.10 175.81 1nji s THR 49 N -1.07 2.39 0.14 3.92 -1.32 0.32 -0.28 115.64 119.74 1nji s THR 49 Ca 0.19 -2.08 -0.20 0.00 -1.21 0.00 0.00 61.69 58.39 1nji s THR 49 Cb -0.12 -2.75 -0.07 0.00 -1.51 0.00 0.00 72.50 68.05 1nji s THR 49 CO 0.09 -0.18 0.66 -0.22 -2.21 0.00 0.00 174.62 172.75 1nji s LEU 50 N -3.67 4.47 0.17 9.08 2.96 -1.26 -0.51 118.68 129.92 1nji s LEU 50 Ca 0.34 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.64 1nji s LEU 50 Cb 0.02 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 1nji s LEU 50 CO 0.18 0.18 0.01 -0.83 -1.32 0.00 0.00 176.35 174.57 1nji s GLY 51 N -1.33 1.20 0.48 7.98 0.00 -0.73 -4.74 107.32 110.18 1nji s GLY 51 Ca 0.35 -1.58 0.15 0.00 0.00 0.00 0.00 44.72 43.64 1nji s GLY 51 CO 0.21 -1.51 2.08 -2.55 0.00 0.00 0.00 173.10 171.33 1nji h PRO 52 N 2.71 0.20 0.00 2.90 0.11 -1.98 -2.92 132.00 133.02 1nji h PRO 52 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1nji h PRO 52 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nji h PRO 52 CO 0.62 0.13 -0.09 0.09 -0.21 0.00 0.00 178.00 178.54 1nji n ASN 53 N -4.49 1.77 0.00 -2.05 3.02 -1.26 -5.10 115.26 107.16 1nji n ASN 53 Ca 0.03 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 1nji n ASN 53 Cb 0.21 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1nji n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nji n GLY 54 N -0.97 1.77 3.71 7.41 0.00 -1.10 -5.11 105.19 110.89 1nji n GLY 54 Ca 0.10 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1nji n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nji s ASP 55 N 0.00 3.53 -0.13 1.61 1.01 -1.26 -1.77 116.67 119.66 1nji s ASP 55 Ca 0.00 1.79 -0.00 0.00 0.71 0.00 0.00 52.55 55.05 1nji s ASP 55 Cb 0.00 -2.41 0.03 0.00 1.01 0.00 0.00 42.92 41.54 1nji s ASP 55 CO 0.00 -2.65 -0.10 -1.81 0.21 0.00 0.00 175.17 170.82 1nji s ASP 56 N -3.16 2.47 -0.28 0.27 1.01 0.33 -4.77 116.67 112.54 1nji s ASP 56 Ca 0.64 -0.42 -0.21 0.00 0.71 0.00 0.00 52.55 53.27 1nji s ASP 56 Cb -0.19 -0.99 -0.01 0.00 1.01 0.00 0.00 42.92 42.73 1nji s ASP 56 CO 0.57 -0.10 0.65 -0.89 0.21 0.00 0.00 175.17 175.62 1nji s THR 57 N 1.61 4.94 -0.34 -1.27 2.01 -1.26 -0.52 115.64 120.81 1nji s THR 57 Ca 0.04 1.05 0.23 0.00 0.31 0.00 0.00 61.69 63.32 1nji s THR 57 Cb -0.13 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1nji s THR 57 CO -0.09 -0.07 0.96 0.18 -0.69 0.00 0.00 174.62 174.91 1nji n LEU 58 N 5.83 0.62 -3.64 4.42 4.32 -0.29 -4.95 117.00 123.31 1nji n LEU 58 Ca -0.00 0.16 -0.09 0.00 -0.02 0.00 0.00 56.01 56.06 1nji n LEU 58 Cb 0.49 -0.07 -0.07 0.00 -1.62 0.00 0.00 43.42 42.15 1nji n LEU 58 CO 0.45 -0.08 0.68 0.00 -1.22 0.00 0.00 177.39 177.22 1nji s ALA 59 N -3.33 -1.96 0.20 -1.18 0.00 -1.24 -4.89 121.76 109.35 1nji s ALA 59 Ca -0.00 1.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.78 1nji s ALA 59 Cb 0.12 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1nji s ALA 59 CO 0.81 -0.26 0.38 -1.54 0.00 0.00 0.00 175.76 175.15 1nji s SER 60 N 0.35 -0.05 -0.17 0.00 1.04 -1.26 -0.22 113.70 113.39 1nji s SER 60 Ca 0.02 -0.85 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 1nji s SER 60 Cb -0.05 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1nji s SER 60 CO -0.06 -1.00 0.45 0.00 0.98 0.00 0.00 173.24 173.61 1nji s ALA 61 N -3.98 -1.12 0.02 5.32 0.00 0.21 -4.60 121.76 117.60 1nji s ALA 61 Ca 0.19 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1nji s ALA 61 Cb 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1nji s ALA 61 CO 0.03 -0.24 -0.25 -1.58 0.00 0.00 0.00 175.76 173.72 1nji s HIS 62 N 0.68 2.36 0.63 0.00 2.46 -1.26 -1.19 115.29 118.96 1nji s HIS 62 Ca -0.04 -0.40 0.35 0.00 0.47 0.00 0.00 55.06 55.44 1nji s HIS 62 Cb -0.05 -1.45 1.97 0.00 -0.13 0.00 0.00 32.58 32.92 1nji s HIS 62 CO -0.05 0.07 2.22 0.66 -2.47 0.00 0.00 174.74 175.17 1nji h SER 63 N 5.07 0.00 0.10 9.88 4.64 -1.45 -2.71 113.55 129.08 1nji h SER 63 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nji h SER 63 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1nji h SER 63 CO 0.45 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 177.14 1nji h SER 64 N 0.00 -0.11 0.00 4.97 4.64 -1.91 -2.96 113.55 118.18 1nji h SER 64 Ca 0.02 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1nji h SER 64 Cb 0.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1nji h SER 64 CO -0.00 0.37 0.00 -0.90 -0.87 0.00 0.00 176.83 175.43 1nji n ASP 65 N -4.93 1.42 0.04 4.97 5.75 -1.02 -2.26 116.55 120.53 1nji n ASP 65 Ca -0.09 -1.25 -0.22 0.00 -0.01 0.00 0.00 54.79 53.22 1nji n ASP 65 Cb 0.26 -0.31 -0.14 0.00 -1.03 0.00 0.00 41.12 39.89 1nji n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1nji h LEU 66 N 1.01 0.53 -1.43 -2.12 5.85 -1.59 -3.32 115.31 114.25 1nji h LEU 66 Ca 0.00 -0.94 0.16 0.00 0.84 0.00 0.00 57.88 57.94 1nji h LEU 66 Cb 0.51 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1nji h LEU 66 CO 0.00 1.81 0.56 0.00 -0.34 0.00 0.00 178.44 180.47 1nji h ALA 67 N 0.11 2.01 0.00 1.25 0.00 -1.65 0.22 119.26 121.20 1nji h ALA 67 Ca -0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nji h ALA 67 Cb 2.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1nji h ALA 67 CO 0.14 -0.26 0.28 -1.91 0.00 0.00 0.00 179.25 177.50 1nji n GLU 68 N -4.53 0.03 -0.02 0.00 2.13 -1.25 0.76 120.64 117.77 1nji n GLU 68 Ca 0.17 0.38 0.01 0.00 0.66 0.00 0.00 57.16 58.38 1nji n GLU 68 Cb 0.55 -1.88 0.02 0.00 0.27 0.00 0.00 31.44 30.40 1nji n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1nji n TYR 69 N -1.55 0.05 0.00 4.31 4.02 0.75 -4.97 117.16 119.77 1nji n TYR 69 Ca -0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1nji n TYR 69 Cb 0.28 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1nji n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nji n GLY 70 N -0.12 1.76 3.69 2.72 0.00 0.23 -4.99 105.19 108.48 1nji n GLY 70 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1nji n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1nji s TRP 71 N -2.00 3.48 -0.09 1.61 -0.11 -1.16 -4.91 118.94 115.76 1nji s TRP 71 Ca 0.00 1.07 0.13 0.00 1.22 0.00 0.00 56.10 58.52 1nji s TRP 71 Cb 0.00 -2.78 0.20 0.00 -1.50 0.00 0.00 33.47 29.38 1nji s TRP 71 CO 0.00 -0.03 1.09 -1.91 -4.62 0.00 0.00 176.95 171.49 1nji n GLU 72 N 4.36 0.97 -4.47 5.86 2.13 -1.26 -4.35 120.64 123.87 1nji n GLU 72 Ca -0.02 -2.08 -0.27 0.00 0.66 0.00 0.00 57.16 55.45 1nji n GLU 72 Cb 0.51 -1.19 -0.10 0.00 0.27 0.00 0.00 31.44 30.93 1nji n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nji s ALA 73 N -1.98 3.38 1.06 4.31 0.00 -1.26 -4.40 121.76 122.87 1nji s ALA 73 Ca 0.22 -2.10 -0.15 0.00 0.00 0.00 0.00 51.96 49.93 1nji s ALA 73 Cb 0.19 -0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.42 1nji s ALA 73 CO 0.02 -0.13 0.47 -2.30 0.00 0.00 0.00 175.76 173.82 1nji n PRO 74 N -1.08 -1.24 -0.10 0.00 -0.02 -1.26 -4.96 135.00 126.34 1nji n PRO 74 Ca -0.05 -0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.15 1nji n PRO 74 Cb 0.66 -1.93 0.07 0.00 -0.02 0.00 0.00 33.50 32.29 1nji n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nji n THR 75 N -4.27 1.26 -1.93 3.45 -2.24 -1.26 -4.74 114.28 104.55 1nji n THR 75 Ca 0.04 -1.45 -0.26 0.00 -2.27 0.00 0.00 64.05 60.11 1nji n THR 75 Cb 0.57 0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1nji n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nji n GLY 76 N -0.88 6.33 3.45 3.38 0.00 -0.93 -3.90 105.19 112.65 1nji n GLY 76 Ca 0.08 -2.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.25 1nji n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nji s ASN 77 N -3.35 2.43 0.12 1.61 2.20 -1.26 -4.98 114.94 111.71 1nji s ASN 77 Ca 0.53 -1.65 -0.27 0.00 -0.94 0.00 0.00 52.86 50.52 1nji s ASN 77 Cb 0.42 0.46 -0.06 0.00 -2.00 0.00 0.00 41.25 40.08 1nji s ASN 77 CO 0.03 -0.92 1.62 0.24 -2.94 0.00 0.00 177.10 175.12 1nji h MET 78 N 1.91 -0.47 -0.67 3.55 2.86 -1.88 -1.04 114.93 119.19 1nji h MET 78 Ca -0.34 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1nji h MET 78 Cb 1.26 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.99 1nji h MET 78 CO 0.54 -0.31 0.45 -1.35 1.06 0.00 0.00 176.91 177.30 1nji h PRO 79 N -0.49 0.66 0.56 -0.22 0.11 -1.71 -1.61 132.00 129.30 1nji h PRO 79 Ca 0.05 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1nji h PRO 79 Cb 0.56 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1nji h PRO 79 CO -0.24 0.44 -0.32 1.03 -0.21 0.00 0.00 178.00 178.69 1nji h SER 80 N 0.68 -0.81 -0.08 -2.05 0.87 -1.65 -2.34 113.55 108.17 1nji h SER 80 Ca 0.29 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.94 1nji h SER 80 Cb 0.27 0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 1nji h SER 80 CO -0.09 -0.52 -0.34 0.00 -0.53 0.00 0.00 176.83 175.35 1nji h ALA 81 N -0.43 -0.44 -0.10 6.23 0.00 -0.56 -0.41 119.26 123.54 1nji h ALA 81 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nji h ALA 81 Cb 0.67 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1nji h ALA 81 CO 0.08 -0.83 -0.41 -0.92 0.00 0.00 0.00 179.25 177.17 1nji h TYR 82 N -0.44 -1.17 -0.59 0.00 3.20 -1.29 0.30 116.97 116.99 1nji h TYR 82 Ca 0.08 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1nji h TYR 82 Cb 0.57 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 1nji h TYR 82 CO -0.39 -0.47 0.24 -0.07 -1.64 0.00 0.00 178.16 175.82 1nji h LEU 83 N -0.50 0.26 -1.50 2.82 3.38 -1.10 0.11 115.31 118.78 1nji h LEU 83 Ca 0.07 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1nji h LEU 83 Cb 0.62 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1nji h LEU 83 CO -0.38 0.16 0.34 0.74 0.09 0.00 0.00 178.44 179.40 1nji h THR 84 N 0.43 1.12 -0.12 0.22 2.02 -0.42 0.37 112.91 116.53 1nji h THR 84 Ca 0.29 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1nji h THR 84 Cb 0.33 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1nji h THR 84 CO -0.28 0.12 -0.02 1.23 0.37 0.00 0.00 175.52 176.95 1nji h GLY 85 N 0.68 0.25 1.01 2.16 0.00 0.12 -1.28 103.07 106.01 1nji h GLY 85 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1nji h GLY 85 CO -0.04 0.18 0.40 -2.00 0.00 0.00 0.00 176.54 175.08 1nji h LEU 86 N -0.07 0.92 -0.16 3.11 5.85 -0.01 0.35 115.31 125.30 1nji h LEU 86 Ca 0.03 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1nji h LEU 86 Cb 0.42 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1nji h LEU 86 CO 0.01 0.75 0.08 0.25 -0.34 0.00 0.00 178.44 179.19 1nji h LEU 87 N 1.02 0.20 -0.59 2.25 5.85 -0.24 0.60 115.31 124.40 1nji h LEU 87 Ca 0.26 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1nji h LEU 87 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1nji h LEU 87 CO -0.04 0.26 0.13 0.00 -0.34 0.00 0.00 178.44 178.44 1nji h ALA 88 N 0.95 0.78 -0.47 1.25 0.00 -1.03 -1.95 119.26 118.80 1nji h ALA 88 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1nji h ALA 88 Cb 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1nji h ALA 88 CO -0.01 0.51 0.22 0.78 0.00 0.00 0.00 179.25 180.75 1nji h GLY 89 N 0.87 0.65 0.93 0.00 0.00 0.08 0.21 103.07 105.81 1nji h GLY 89 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1nji h GLY 89 CO 0.01 0.09 -0.10 1.41 0.00 0.00 0.00 176.54 177.94 1nji h LEU 90 N 0.44 -0.23 -0.99 3.11 3.38 -0.66 0.54 115.31 120.90 1nji h LEU 90 Ca 0.21 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1nji h LEU 90 Cb 0.14 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 1nji h LEU 90 CO -0.17 -0.10 0.62 0.03 0.09 0.00 0.00 178.44 178.91 1nji h ARG 91 N -0.35 0.95 -0.08 1.13 3.08 -1.12 -0.10 114.38 117.89 1nji h ARG 91 Ca -0.03 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1nji h ARG 91 Cb 0.27 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1nji h ARG 91 CO 0.05 0.63 -0.13 0.00 -1.07 0.00 0.00 179.97 179.44 1nji h ALA 92 N 1.53 -0.08 -0.65 0.04 0.00 0.27 -0.56 119.26 119.81 1nji h ALA 92 Ca 0.49 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.50 1nji h ALA 92 Cb 0.48 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1nji h ALA 92 CO -0.26 -0.60 0.34 1.96 0.00 0.00 0.00 179.25 180.68 1nji h GLN 93 N -0.18 0.60 -0.87 0.00 1.08 0.63 -0.77 115.11 115.58 1nji h GLN 93 Ca 0.07 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1nji h GLN 93 Cb 0.29 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1nji h GLN 93 CO -0.19 0.39 0.57 0.93 -0.95 0.00 0.00 178.83 179.59 1nji h GLU 94 N 0.61 0.97 0.00 1.46 4.39 -0.17 -0.66 114.58 121.19 1nji h GLU 94 Ca 0.30 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1nji h GLU 94 Cb 0.24 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1nji h GLU 94 CO -0.21 0.64 0.00 0.00 -1.16 0.00 0.00 179.01 178.28 1nji n ALA 95 N -2.40 2.10 -0.45 3.43 0.00 -0.30 -4.84 120.51 118.04 1nji n ALA 95 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nji n ALA 95 Cb 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1nji n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 96 N 0.28 0.77 3.69 0.00 0.00 -0.25 -5.05 105.19 104.63 1nji n GLY 96 Ca 0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1nji n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nji s VAL 97 N -2.00 4.95 -0.08 1.61 1.01 -0.73 -4.96 120.40 120.21 1nji s VAL 97 Ca 0.00 1.59 0.10 0.00 0.00 0.00 0.00 61.98 63.67 1nji s VAL 97 Cb 0.00 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1nji s VAL 97 CO 0.00 0.13 0.09 -0.62 0.00 0.00 0.00 175.10 174.71 1nji n GLU 98 N 4.49 1.77 -3.90 2.72 1.02 -1.26 -3.97 120.64 121.50 1nji n GLU 98 Ca 0.02 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1nji n GLU 98 Cb 0.50 -1.26 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 1nji n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1nji s GLU 99 N -2.39 0.81 0.14 3.49 -1.05 -1.26 -1.52 118.70 116.92 1nji s GLU 99 Ca -0.05 -1.01 -0.25 0.00 -0.15 0.00 0.00 54.97 53.51 1nji s GLU 99 Cb 0.04 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 34.12 1nji s GLU 99 CO 0.43 -0.24 0.85 0.00 0.95 0.00 0.00 175.26 177.25 1nji s ALA 100 N -3.87 -1.62 -0.07 -0.84 0.00 -0.83 -3.95 121.76 110.57 1nji s ALA 100 Ca 0.06 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1nji s ALA 100 Cb 0.05 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1nji s ALA 100 CO -0.11 -0.92 -0.18 0.08 0.00 0.00 0.00 175.76 174.63 1nji s VAL 101 N -3.41 2.64 -0.07 0.00 1.01 -0.14 -4.00 120.40 116.43 1nji s VAL 101 Ca 0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1nji s VAL 101 Cb -0.02 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1nji s VAL 101 CO -0.02 0.57 1.47 -0.22 0.00 0.00 0.00 175.10 176.90 1nji s LEU 102 N -0.25 4.28 -0.28 3.92 2.96 -1.26 -0.70 118.68 127.35 1nji s LEU 102 Ca 0.00 2.04 -0.04 0.00 -0.22 0.00 0.00 54.13 55.91 1nji s LEU 102 Cb -0.13 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.04 1nji s LEU 102 CO 0.03 -0.82 0.02 -0.62 -1.32 0.00 0.00 176.35 173.64 1nji s ASP 103 N 2.54 4.81 -0.20 3.68 -1.08 -0.59 -4.89 116.67 120.94 1nji s ASP 103 Ca 0.65 -0.85 0.15 0.00 -0.52 0.00 0.00 52.55 51.99 1nji s ASP 103 Cb -0.29 -1.78 0.67 0.00 -1.46 0.00 0.00 42.92 40.06 1nji s ASP 103 CO 0.24 -0.18 1.59 2.30 0.52 0.00 0.00 175.17 179.64 1nji n ILE 104 N 4.77 2.47 -0.18 4.11 -5.35 -1.26 -1.37 119.36 122.54 1nji n ILE 104 Ca -0.15 -1.61 0.00 0.00 -0.27 0.00 0.00 62.75 60.72 1nji n ILE 104 Cb 0.47 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1nji n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nji n GLY 105 N 0.12 2.81 0.68 3.28 0.00 -1.26 -1.44 105.19 109.36 1nji n GLY 105 Ca 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1nji n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nji n LEU 106 N 0.00 1.94 -4.87 0.99 4.77 -1.26 -4.91 117.00 113.65 1nji n LEU 106 Ca 0.00 -0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 54.71 1nji n LEU 106 Cb 0.00 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1nji n LEU 106 CO 0.00 0.43 0.76 0.20 -1.33 0.00 0.00 177.39 177.45 1nji s ASN 107 N -0.89 4.73 -0.14 -1.43 -0.87 -0.52 -5.06 114.94 110.75 1nji s ASN 107 Ca 0.22 0.98 -0.08 0.00 -1.57 0.00 0.00 52.86 52.41 1nji s ASN 107 Cb 0.12 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.25 39.69 1nji s ASN 107 CO 0.13 -1.78 0.13 -0.44 -2.57 0.00 0.00 177.10 172.57 1nji s SER 108 N -4.37 6.28 0.00 -1.22 0.01 -1.26 -4.98 113.70 108.15 1nji s SER 108 Ca 0.61 0.38 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1nji s SER 108 Cb -0.12 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1nji s SER 108 CO 0.51 0.34 0.69 -2.65 0.41 0.00 0.00 173.24 172.53 1nji n PRO 109 N 2.47 0.39 -2.03 12.44 -0.02 -1.26 -4.88 135.00 142.10 1nji n PRO 109 Ca -0.19 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1nji n PRO 109 Cb 0.54 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 1nji n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nji s THR 110 N 1.08 2.78 0.41 3.45 2.01 -1.26 -4.95 115.64 119.16 1nji s THR 110 Ca 0.00 0.62 -0.26 0.00 0.31 0.00 0.00 61.69 62.36 1nji s THR 110 Cb 0.00 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 1nji s THR 110 CO 0.00 0.08 1.31 -2.65 -0.69 0.00 0.00 174.62 172.68 1nji n PRO 111 N 2.90 2.08 -1.27 4.92 -0.02 -1.26 -2.02 135.00 140.33 1nji n PRO 111 Ca 0.09 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 1nji n PRO 111 Cb 0.40 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1nji n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nji n GLY 112 N 0.74 1.02 3.80 -1.23 0.00 -0.14 -4.92 105.19 104.46 1nji n GLY 112 Ca 0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1nji n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nji s SER 113 N -2.54 4.34 0.24 1.61 0.01 -0.86 -4.66 113.70 111.84 1nji s SER 113 Ca 0.00 1.25 -0.05 0.00 1.31 0.00 0.00 55.95 58.46 1nji s SER 113 Cb 0.00 -1.96 0.24 0.00 0.21 0.00 0.00 66.02 64.51 1nji s SER 113 CO 0.00 -2.06 1.75 0.11 0.41 0.00 0.00 173.24 173.45 1nji h LYS 114 N -1.15 0.97 -0.38 12.44 1.57 -1.94 -2.12 116.57 125.96 1nji h LYS 114 Ca -0.48 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.08 1nji h LYS 114 Cb 1.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1nji h LYS 114 CO 0.60 0.89 0.25 -0.39 -0.57 0.00 0.00 179.45 180.23 1nji h VAL 115 N 0.92 1.07 0.00 0.50 -1.51 -1.94 0.34 116.25 115.63 1nji h VAL 115 Ca 0.19 -0.16 -0.13 0.00 -1.23 0.00 0.00 66.70 65.36 1nji h VAL 115 Cb 0.39 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.08 1nji h VAL 115 CO 0.01 0.09 -0.64 -0.26 -1.23 0.00 0.00 177.57 175.53 1nji h PHE 116 N 0.47 0.00 -0.20 5.19 0.05 -1.82 -1.13 116.94 119.50 1nji h PHE 116 Ca 0.14 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.89 1nji h PHE 116 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 1nji h PHE 116 CO -0.00 0.64 -0.05 0.00 -0.18 0.00 0.00 178.31 178.72 1nji h ALA 117 N 1.36 0.27 -0.99 2.45 0.00 -0.23 0.21 119.26 122.34 1nji h ALA 117 Ca -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1nji h ALA 117 Cb 1.28 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1nji h ALA 117 CO 0.08 0.05 0.63 0.82 0.00 0.00 0.00 179.25 180.83 1nji h ILE 118 N 0.10 0.95 -0.43 0.00 2.04 -0.18 0.94 117.51 120.93 1nji h ILE 118 Ca 0.05 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1nji h ILE 118 Cb 0.50 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1nji h ILE 118 CO 0.02 0.18 -0.24 -0.61 0.00 0.00 0.00 178.15 177.50 1nji h GLN 119 N 1.01 0.90 -0.43 2.37 4.15 -0.65 -1.93 115.11 120.52 1nji h GLN 119 Ca 0.48 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1nji h GLN 119 Cb 0.43 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1nji h GLN 119 CO -0.24 1.04 0.19 1.49 -1.93 0.00 0.00 178.83 179.38 1nji h GLU 120 N 0.77 0.63 0.16 1.69 4.81 0.17 -1.74 114.58 121.07 1nji h GLU 120 Ca 0.10 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1nji h GLU 120 Cb 0.80 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1nji h GLU 120 CO 0.07 0.56 -0.18 0.78 -0.73 0.00 0.00 179.01 179.51 1nji h GLY 121 N 0.55 -0.37 0.39 1.92 0.00 -0.87 -1.57 103.07 103.13 1nji h GLY 121 Ca 0.15 0.20 0.13 0.00 0.00 0.00 0.00 47.33 47.81 1nji h GLY 121 CO -0.02 -0.17 0.55 0.00 0.00 0.00 0.00 176.54 176.90 1nji h ALA 122 N 0.41 1.39 -0.68 3.60 0.00 -1.23 -0.38 119.26 122.37 1nji h ALA 122 Ca 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nji h ALA 122 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1nji h ALA 122 CO -0.06 0.09 0.20 0.82 0.00 0.00 0.00 179.25 180.31 1nji h ILE 123 N 0.83 1.26 0.00 0.00 2.04 -0.78 -2.40 117.51 118.45 1nji h ILE 123 Ca 0.47 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1nji h ILE 123 Cb 0.54 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1nji h ILE 123 CO -0.30 0.35 -0.32 0.44 0.00 0.00 0.00 178.15 178.32 1nji h ASP 124 N 1.00 0.00 0.63 1.72 3.32 -0.28 -1.71 116.42 121.10 1nji h ASP 124 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1nji h ASP 124 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1nji h ASP 124 CO -0.01 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1nji h ALA 125 N 1.68 1.00 0.00 3.45 0.00 -0.64 -3.45 119.26 121.30 1nji h ALA 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nji h ALA 125 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nji h ALA 125 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1nji n GLY 126 N -0.29 1.54 3.71 0.00 0.00 -0.64 -4.61 105.19 104.89 1nji n GLY 126 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1nji n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nji s LEU 127 N 0.00 4.36 -0.43 0.99 2.96 -0.98 -4.97 118.68 120.61 1nji s LEU 127 Ca 0.00 2.36 -0.25 0.00 -0.22 0.00 0.00 54.13 56.03 1nji s LEU 127 Cb 0.00 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1nji s LEU 127 CO 0.00 -0.73 0.87 -0.62 -1.32 0.00 0.00 176.35 174.55 1nji s ASP 128 N 1.44 6.51 -0.03 3.68 -1.08 -0.57 -4.07 116.67 122.55 1nji s ASP 128 Ca 0.67 0.16 0.01 0.00 -0.52 0.00 0.00 52.55 52.86 1nji s ASP 128 Cb -0.38 -2.43 0.02 0.00 -1.46 0.00 0.00 42.92 38.68 1nji s ASP 128 CO 0.30 -0.94 -0.02 -0.63 0.52 0.00 0.00 175.17 174.40 1nji s ILE 129 N 3.51 0.32 -0.11 4.11 1.01 -1.26 -1.97 121.20 126.79 1nji s ILE 129 Ca 0.35 -0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.66 1nji s ILE 129 Cb -0.11 -0.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.89 1nji s ILE 129 CO 0.23 0.16 2.02 -2.65 0.00 0.00 0.00 174.94 174.70 1nji n PRO 130 N 3.95 2.20 -3.27 2.79 -0.02 -1.26 -4.91 135.00 134.49 1nji n PRO 130 Ca -0.25 0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1nji n PRO 130 Cb 0.51 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1nji n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1nji n HIS 131 N 8.32 -0.87 -3.47 6.00 1.44 -1.26 -4.73 115.22 120.65 1nji n HIS 131 Ca 0.25 -1.65 -0.21 0.00 -2.01 0.00 0.00 57.72 54.10 1nji n HIS 131 Cb 0.35 0.29 -0.12 0.00 0.12 0.00 0.00 29.99 30.63 1nji n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1nji s ASN 132 N -2.46 2.20 0.40 4.39 3.84 -1.26 -5.05 114.94 117.01 1nji s ASN 132 Ca 0.22 -0.80 0.23 0.00 0.21 0.00 0.00 52.86 52.71 1nji s ASN 132 Cb 0.00 0.19 1.24 0.00 -0.55 0.00 0.00 41.25 42.14 1nji s ASN 132 CO 0.15 -0.39 1.68 0.44 -2.79 0.00 0.00 177.10 176.19 1nji h ASP 133 N 8.32 0.37 -0.63 -4.21 3.32 -2.00 -2.07 116.42 119.53 1nji h ASP 133 Ca -0.16 0.13 -0.35 0.00 0.02 0.00 0.00 57.03 56.67 1nji h ASP 133 Cb 1.07 0.09 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1nji h ASP 133 CO 0.35 -0.09 0.45 -0.90 -1.72 0.00 0.00 179.24 177.33 1nji n ASP 134 N -4.76 4.30 0.00 6.45 5.68 -1.26 -2.90 116.55 124.06 1nji n ASP 134 Ca 0.32 -3.08 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 1nji n ASP 134 Cb 1.15 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1nji n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1nji n VAL 135 N -0.41 0.00 -3.42 2.12 3.14 -0.78 -4.99 118.33 113.99 1nji n VAL 135 Ca 0.38 -0.41 -0.23 0.00 -2.96 0.00 0.00 64.34 61.12 1nji n VAL 135 Cb 1.08 1.13 -0.01 0.00 -1.06 0.00 0.00 33.84 34.99 1nji n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1nji s LEU 136 N -0.35 4.02 0.95 6.55 1.43 -1.14 -0.97 118.68 129.16 1nji s LEU 136 Ca 0.00 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 1nji s LEU 136 Cb 0.00 -3.21 0.16 0.00 0.03 0.00 0.00 46.19 43.17 1nji s LEU 136 CO 0.00 -0.31 1.09 0.00 0.23 0.00 0.00 176.35 177.36 1nji s ALA 137 N -2.29 1.26 -0.43 4.21 0.00 -1.26 -4.38 121.76 118.86 1nji s ALA 137 Ca 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1nji s ALA 137 Cb -0.10 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.91 1nji s ALA 137 CO 0.35 -2.59 2.84 -0.40 0.00 0.00 0.00 175.76 175.95 1nji n ASP 138 N -4.03 6.40 0.00 0.00 5.75 -1.26 -4.91 116.55 118.51 1nji n ASP 138 Ca 0.06 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1nji n ASP 138 Cb 0.56 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1nji n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1nji n TRP 139 N 1.02 0.00 -0.16 2.11 -0.00 -1.26 -4.19 117.44 114.96 1nji n TRP 139 Ca 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.96 1nji n TRP 139 Cb 0.58 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.95 1nji n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1nji h GLN 140 N 0.00 0.27 -0.22 5.87 1.08 -1.99 0.35 115.11 120.47 1nji h GLN 140 Ca 0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1nji h GLN 140 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1nji h GLN 140 CO 0.00 0.18 -0.11 -0.09 -0.95 0.00 0.00 178.83 177.86 1nji h ARG 141 N 0.27 0.36 -0.59 1.46 2.43 -1.94 -0.65 114.38 115.71 1nji h ARG 141 Ca 0.25 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1nji h ARG 141 Cb 0.32 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1nji h ARG 141 CO -0.30 0.47 0.04 1.15 -1.51 0.00 0.00 179.97 179.82 1nji h THR 142 N 0.34 1.26 0.00 0.20 2.02 -1.09 -1.37 112.91 114.26 1nji h THR 142 Ca 0.07 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1nji h THR 142 Cb 0.40 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1nji h THR 142 CO 0.02 0.39 -0.17 0.03 0.37 0.00 0.00 175.52 176.16 1nji h ARG 143 N 0.93 0.00 0.00 6.66 3.08 0.43 -2.60 114.38 122.87 1nji h ARG 143 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1nji h ARG 143 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1nji h ARG 143 CO 0.02 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 1nji n GLY 144 N -0.98 1.46 0.33 0.04 0.00 -0.52 -4.46 105.19 101.06 1nji n GLY 144 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 1nji n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji h ALA 145 N 0.00 1.10 -0.32 4.61 0.00 -1.32 -2.49 119.26 120.85 1nji h ALA 145 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1nji h ALA 145 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nji h ALA 145 CO 0.00 0.63 0.26 1.12 0.00 0.00 0.00 179.25 181.26 1nji h HIS 146 N 1.06 0.00 0.15 0.00 2.07 -1.82 -0.62 115.15 115.98 1nji h HIS 146 Ca 0.24 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.43 1nji h HIS 146 Cb 0.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.21 1nji h HIS 146 CO 0.02 0.00 -1.69 0.97 -3.07 0.00 0.00 177.93 174.16 1nji h ILE 147 N 0.00 0.99 0.18 6.12 2.10 -1.82 -2.87 117.51 122.21 1nji h ILE 147 Ca 0.15 -2.61 -0.01 0.00 1.08 0.00 0.00 64.86 63.47 1nji h ILE 147 Cb 0.67 2.73 0.00 0.00 -1.09 0.00 0.00 36.82 39.13 1nji h ILE 147 CO -0.00 0.83 -0.09 0.00 -1.08 0.00 0.00 178.15 177.81 1nji h ALA 148 N 0.30 -0.25 -0.27 0.18 0.00 -0.98 -1.40 119.26 116.85 1nji h ALA 148 Ca -0.31 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1nji h ALA 148 Cb 2.06 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1nji h ALA 148 CO 0.16 -0.61 0.18 0.93 0.00 0.00 0.00 179.25 179.92 1nji h GLU 149 N -0.31 0.19 -0.13 0.00 5.08 -1.29 0.08 114.58 118.21 1nji h GLU 149 Ca -0.03 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1nji h GLU 149 Cb 0.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1nji h GLU 149 CO 0.04 0.13 -0.29 -0.92 -1.00 0.00 0.00 179.01 176.96 1nji h TYR 150 N 0.19 0.27 0.00 4.33 3.20 -1.14 -1.57 116.97 122.25 1nji h TYR 150 Ca 0.11 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1nji h TYR 150 Cb 0.22 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1nji h TYR 150 CO -0.00 0.51 0.00 -3.47 -1.64 0.00 0.00 178.16 173.56 1nji n ASP 151 N -4.13 0.69 0.12 -2.11 -0.08 -0.05 -2.63 116.55 108.36 1nji n ASP 151 Ca -0.01 0.57 0.01 0.00 -1.51 0.00 0.00 54.79 53.84 1nji n ASP 151 Cb 0.39 -0.75 0.32 0.00 2.34 0.00 0.00 41.12 43.42 1nji n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1nji h GLU 152 N 0.00 0.20 -1.35 -0.67 4.57 -0.58 0.23 114.58 116.98 1nji h GLU 152 Ca 0.00 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 1nji h GLU 152 Cb 0.70 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 1nji h GLU 152 CO 0.00 0.47 0.16 1.04 -1.18 0.00 0.00 179.01 179.50 1nji n GLN 153 N -4.14 1.30 0.00 1.92 6.02 -1.08 -4.80 117.38 116.60 1nji n GLN 153 Ca -0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 57.00 56.32 1nji n GLN 153 Cb 0.38 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1nji n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1nji n LEU 154 N 0.52 0.00 0.00 1.08 7.94 0.07 -4.79 117.00 121.82 1nji n LEU 154 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1nji n LEU 154 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1nji n LEU 154 CO 0.15 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.64 1nji n GLU 155 N 0.00 0.00 -3.66 1.96 2.13 -1.26 -4.88 120.64 114.93 1nji n GLU 155 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1nji n GLU 155 Cb 0.00 -0.14 -0.07 0.00 0.27 0.00 0.00 31.44 31.49 1nji n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1nji s GLU 156 N -0.18 0.51 0.01 5.31 2.02 -1.26 -5.13 118.70 119.97 1nji s GLU 156 Ca 0.00 1.17 -0.38 0.00 0.02 0.00 0.00 54.97 55.77 1nji s GLU 156 Cb 0.00 0.39 -0.18 0.00 0.10 0.00 0.00 34.13 34.44 1nji s GLU 156 CO 0.00 -0.19 1.30 -2.30 0.02 0.00 0.00 175.26 174.08 1nji n PRO 157 N 4.95 0.76 0.23 0.39 -0.02 -1.26 -4.83 135.00 135.22 1nji n PRO 157 Ca -0.15 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.69 1nji n PRO 157 Cb 0.53 -1.87 0.54 0.00 -0.02 0.00 0.00 33.50 32.67 1nji n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1nji h LEU 158 N 4.29 0.00 -8.72 2.45 5.85 -1.92 -3.40 115.31 113.86 1nji h LEU 158 Ca -0.48 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.59 1nji h LEU 158 Cb 1.36 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.17 1nji h LEU 158 CO 0.76 0.23 -0.64 -0.31 -0.34 0.00 0.00 178.44 178.14 1nji s TYR 159 N -4.16 3.08 -0.72 1.25 1.51 -1.26 -5.04 117.35 112.00 1nji s TYR 159 Ca -0.02 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.38 1nji s TYR 159 Cb 0.13 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1nji s TYR 159 CO 0.65 -0.24 1.69 0.45 -1.11 0.00 0.00 175.55 176.99 1nji s SER 160 N 1.15 5.58 0.00 2.29 0.15 -1.26 -4.47 113.70 117.13 1nji s SER 160 Ca 0.03 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1nji s SER 160 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1nji s SER 160 CO 0.02 -2.23 0.00 0.61 1.20 0.00 0.00 173.24 172.85 1nji n GLY 161 N 5.88 1.74 3.40 9.45 0.00 -1.26 -4.90 105.19 119.50 1nji n GLY 161 Ca 0.20 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1nji n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nji n ASP 162 N 3.93 0.00 -4.32 1.61 9.92 -1.26 -4.54 116.55 121.89 1nji n ASP 162 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 1nji n ASP 162 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1nji n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1nji s PHE 163 N 0.00 1.89 0.22 1.24 -0.00 -1.26 -5.08 117.98 114.98 1nji s PHE 163 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 56.93 56.51 1nji s PHE 163 Cb 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 43.02 42.01 1nji s PHE 163 CO 0.00 0.27 0.00 -0.40 -0.00 0.00 0.00 175.22 175.09 1nji n ASP 164 N 0.84 -3.64 -0.03 1.98 5.68 -1.26 -4.73 116.55 115.39 1nji n ASP 164 Ca -0.18 0.47 -0.04 0.00 -0.50 0.00 0.00 54.79 54.55 1nji n ASP 164 Cb 0.54 -2.89 -0.03 0.00 -1.14 0.00 0.00 41.12 37.60 1nji n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nji n ALA 165 N -2.73 1.86 -0.41 2.12 0.00 -1.26 -4.59 120.51 115.50 1nji n ALA 165 Ca -0.02 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.21 1nji n ALA 165 Cb 0.53 0.27 0.30 0.00 0.00 0.00 0.00 19.45 20.55 1nji n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nji n ALA 166 N -2.52 2.52 -1.23 0.00 0.00 -1.26 -4.48 120.51 113.53 1nji n ALA 166 Ca -0.11 -1.37 0.15 0.00 0.00 0.00 0.00 53.44 52.11 1nji n ALA 166 Cb 0.64 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1nji n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nji n ASP 167 N 1.26 -6.86 -3.49 0.00 8.00 -1.26 -4.76 116.55 109.44 1nji n ASP 167 Ca 0.22 0.74 -0.21 0.00 0.71 0.00 0.00 54.79 56.26 1nji n ASP 167 Cb 0.66 -3.94 -0.13 0.00 -0.02 0.00 0.00 41.12 37.69 1nji n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nji s LEU 168 N -6.22 0.04 0.00 0.64 1.43 -1.26 -4.92 118.68 108.39 1nji s LEU 168 Ca 0.00 -0.61 0.28 0.00 -1.03 0.00 0.00 54.13 52.76 1nji s LEU 168 Cb 0.00 0.20 1.24 0.00 0.03 0.00 0.00 46.19 47.65 1nji s LEU 168 CO 0.00 -0.37 1.90 -2.65 0.23 0.00 0.00 176.35 175.46 1nji n PRO 169 N 5.30 0.11 0.07 1.29 -0.02 -1.26 -2.38 135.00 138.11 1nji n PRO 169 Ca -0.05 0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.31 1nji n PRO 169 Cb 0.47 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 1nji n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1nji h GLU 170 N 0.00 0.46 -0.05 -0.52 3.07 -1.91 -2.85 114.58 112.77 1nji h GLU 170 Ca 0.00 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.36 58.34 1nji h GLU 170 Cb 0.41 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1nji h GLU 170 CO 0.00 1.17 0.01 1.25 -1.40 0.00 0.00 179.01 180.03 1nji h HIS 171 N 0.25 0.07 0.23 4.33 2.76 -1.86 -1.13 115.15 119.80 1nji h HIS 171 Ca -0.10 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1nji h HIS 171 Cb 1.65 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.59 1nji h HIS 171 CO 0.07 0.07 -0.11 0.35 -1.30 0.00 0.00 177.93 177.01 1nji h PHE 172 N 0.07 -0.29 -0.47 5.26 3.57 -1.56 -2.37 116.94 121.16 1nji h PHE 172 Ca 0.02 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1nji h PHE 172 Cb 0.04 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1nji h PHE 172 CO 0.00 -0.03 0.25 -0.44 -2.23 0.00 0.00 178.31 175.85 1nji h ASP 173 N -0.51 0.38 -0.71 0.41 3.32 -1.14 -0.16 116.42 118.00 1nji h ASP 173 Ca -0.03 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.15 1nji h ASP 173 Cb 0.38 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 1nji h ASP 173 CO 0.05 0.27 0.31 -0.33 -1.72 0.00 0.00 179.24 177.82 1nji h GLU 174 N 0.50 0.49 0.29 3.56 5.08 -1.23 0.28 114.58 123.55 1nji h GLU 174 Ca 0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1nji h GLU 174 Cb 0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nji h GLU 174 CO -0.12 0.33 -0.14 1.25 -1.00 0.00 0.00 179.01 179.33 1nji h LEU 175 N 0.51 -0.32 -0.51 1.33 5.85 -0.81 -0.86 115.31 120.49 1nji h LEU 175 Ca 0.37 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1nji h LEU 175 Cb 0.47 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 1nji h LEU 175 CO -0.33 0.10 -0.06 -0.09 -0.34 0.00 0.00 178.44 177.73 1nji h ARG 176 N -0.83 0.06 -0.61 1.25 2.43 -0.79 0.14 114.38 116.02 1nji h ARG 176 Ca -0.04 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1nji h ARG 176 Cb 0.51 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.95 1nji h ARG 176 CO 0.06 0.04 0.01 1.49 -1.51 0.00 0.00 179.97 180.06 1nji h GLU 177 N 0.06 0.12 0.25 0.20 4.57 -0.41 -1.97 114.58 117.40 1nji h GLU 177 Ca 0.26 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1nji h GLU 177 Cb 0.39 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1nji h GLU 177 CO -0.48 0.08 -0.25 1.15 -1.18 0.00 0.00 179.01 178.34 1nji h THR 178 N 0.13 0.47 -0.22 0.32 2.02 0.70 -2.67 112.91 113.66 1nji h THR 178 Ca 0.32 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.56 1nji h THR 178 Cb 0.52 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1nji h THR 178 CO -0.52 0.00 0.29 -0.07 0.37 0.00 0.00 175.52 175.59 1nji h LEU 179 N -0.53 0.00 -2.86 2.58 3.38 -0.38 -3.07 115.31 114.44 1nji h LEU 179 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1nji h LEU 179 Cb 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1nji h LEU 179 CO -0.05 0.00 0.18 0.18 0.09 0.00 0.00 178.44 178.84 1nji n LEU 180 N -3.59 4.90 0.00 1.67 4.77 -0.93 -4.80 117.00 119.01 1nji n LEU 180 Ca 0.03 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 1nji n LEU 180 Cb 0.41 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1nji n LEU 180 CO 0.25 0.88 0.00 -0.90 -1.33 0.00 0.00 177.39 176.28 1nji n ASP 181 N 0.52 0.00 0.00 -1.43 5.75 -1.16 -5.08 116.55 115.15 1nji n ASP 181 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1nji n ASP 181 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1nji n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nji n GLY 182 N 0.00 3.50 0.95 6.12 0.00 -1.26 -5.00 105.19 109.50 1nji n GLY 182 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1nji n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nji n ASP 183 N 8.25 0.00 -4.72 1.61 5.75 -1.26 -4.68 116.55 121.50 1nji n ASP 183 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.46 1nji n ASP 183 Cb 0.00 -1.43 0.11 0.00 -1.03 0.00 0.00 41.12 38.77 1nji n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nji s ILE 184 N -3.60 2.53 -1.63 2.12 -1.09 -1.26 -3.71 121.20 114.56 1nji s ILE 184 Ca 0.00 0.21 -0.01 0.00 -2.23 0.00 0.00 60.65 58.62 1nji s ILE 184 Cb 0.00 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1nji s ILE 184 CO 0.00 -0.19 0.11 -0.62 -1.23 0.00 0.00 174.94 173.01 1nji n GLU 185 N -3.31 -2.31 0.00 2.79 1.02 -1.26 -5.16 120.64 112.41 1nji n GLU 185 Ca 0.12 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 1nji n GLU 185 Cb 0.51 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1nji n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59